[gmx-users] LINCS problem

s lal badshah shahbiochemist at yahoo.com
Mon Mar 24 06:44:19 CET 2008

Dear Experts,
I checked the error lincs page and from that what I ignored in my work are the two errors these are:

Warning: there  are 0 atoms with zero occupancy and 1 atom with occupancy unequal  to one (out of 1480 atoms).Check your pdb file

Warning: masses will be determined based on residue and atom names,this can deviate from the real mass of the atom type.In case you use free energy of solvation predictions.
Can I correct these errors?
Lal badshah

M.Phil Scholar 
NCE in Physical Chemistry, 
University of Peshawar. 
Cell # 03349060632.
 Send instant messages to your online friends http://uk.messenger.yahoo.com 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080324/84f71427/attachment.html>

More information about the gromacs.org_gmx-users mailing list